pyrazine-1,4-diium;bis(trifluoromethanesulfonate)

C6H6F6N2O6S2 — CID 139235356

IUPACpyrazine-1,4-diium;bis(trifluoromethanesulfonate)
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.c1c[nH+]cc[nH+]1
InChIInChI=1S/C4H4N2.2CHF3O3S/c1-2-6-4-3-5-1;2*2-1(3,4)8(5,6)7/h1-4H;2*(H,5,6,7)
InChIKeyOSNKRXFOWMAECZ-UHFFFAOYSA-N
MW380.24 g/mol
LogP-0.58
Rot. Bonds

About pyrazine-1,4-diium;bis(trifluoromethanesulfonate)

pyrazine-1,4-diium;bis(trifluoromethanesulfonate) (PubChem CID 139235356) has the molecular formula C6H6F6N2O6S2 and a molecular weight of 380.24 g/mol. Its IUPAC name is pyrazine-1,4-diium;bis(trifluoromethanesulfonate).

Molecular Properties

Compound Namepyrazine-1,4-diium;bis(trifluoromethanesulfonate)
PubChem CID139235356
Molecular FormulaC6H6F6N2O6S2
Molecular Weight380.24 g/mol
Exact Mass379.96
IUPAC Namepyrazine-1,4-diium;bis(trifluoromethanesulfonate)
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.c1c[nH+]cc[nH+]1
InChIInChI=1S/C4H4N2.2CHF3O3S/c1-2-6-4-3-5-1;2*2-1(3,4)8(5,6)7/h1-4H;2*(H,5,6,7)
InChIKeyOSNKRXFOWMAECZ-UHFFFAOYSA-N
XLogP-0.58
TPSA142.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 5-0.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

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CID 173221749
dilithium;hydride;trifluoromethanesulfonate
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1,3-oxazol-3-ium;trifluoromethanesulfonate
CID 19748307
oxygen(2-);bis(trifluoromethanesulfonate);zirconium(4+)
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lanthanum(3+);tris(trifluoromethanesulfonate);hydrate
CID 71311383
copper;bis(trifluoromethanesulfonate);trihydrate
CID 140682148
lanthanum(3+);trifluoromethanesulfonate;hydrate
CID 22625223
scandium(3+);tris(trifluoromethanesulfonate);hydrate
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Frequently Asked Questions

What is the IUPAC name of pyrazine-1,4-diium;bis(trifluoromethanesulfonate)?
The IUPAC name of pyrazine-1,4-diium;bis(trifluoromethanesulfonate) (CID 139235356) is pyrazine-1,4-diium;bis(trifluoromethanesulfonate).
What is the SMILES notation for pyrazine-1,4-diium;bis(trifluoromethanesulfonate)?
The canonical SMILES for pyrazine-1,4-diium;bis(trifluoromethanesulfonate) is O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.c1c[nH+]cc[nH+]1.
What is the InChIKey of pyrazine-1,4-diium;bis(trifluoromethanesulfonate)?
The InChIKey is OSNKRXFOWMAECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2.2CHF3O3S/c1-2-6-4-3-5-1;2*2-1(3,4)8(5,6)7/h1-4H;2*(H,5,6,7).
What are the key properties of pyrazine-1,4-diium;bis(trifluoromethanesulfonate)?
pyrazine-1,4-diium;bis(trifluoromethanesulfonate) has a molecular weight of 380.24 g/mol, XLogP of -0.58, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazine-1,4-diium;bis(trifluoromethanesulfonate) is sourced from PubChem (CID 139235356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).